Compound Detail
CHEMBL388601
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Basic Information
| ChEMBL ID | CHEMBL388601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJHVCISLVJORHI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.1
MW (Da)
2.28
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 7.86 | 7.44 | 13.8 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111343 | Ki | 6.88 | 6.88 | 133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 13.8 | nM | 7.86 | Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-1-beta-2-gamma-2 r... | 17306981 |
| Unchecked | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]flumazenil from bovine brain cortex GABAA/Bz receptor | 17306981 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]Ro-151788 from rat recombinant GABA alpha-5-beta-2-gamma-2 r... | 17306981 |
| GABA A receptor alpha-3/beta-2/gamma-2 | Ki | = | 133.0 | nM | 6.88 | Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-3-beta-2-gamma-2 r... | 17306981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17306981 | 10.1016/j.bmc.2007.01.053 | Mus musculus | 6 |
| 17306981 | 10.1016/j.bmc.2007.01.053 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 17306981 | 10.1016/j.bmc.2007.01.053 | Unchecked | 1 |
| 17306981 | 10.1016/j.bmc.2007.01.053 | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine